UCSF

ZINC36980564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 4.62 -6.19 2 5 0 67 276.336 6
Lo Low (pH 4.5-6) 2.17 5.48 -32.08 3 5 1 72 277.344 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )